0 mol 33 unq 0 iso 0 dist 5.65377 7.15141 6.08005 9.06004 3.82411 8.39877 6.1939 8.94949 7.00648 12.6778 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.65377 7.15141 6.08005 9.34266 4.28598 5.85188 6.1939 8.94949 7.00648 10.6106 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 7.18148 10.3901 13.8618 5.59128 10.303 5.02241 12.1135 numMergedOcc 0
3 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 7.02812 4.84545 5.02061 12.8521 15.6754 8.61331 11.1213 numMergedOcc 0
4 mol 182 unq 0 iso 0 dist 8.86262 6.31492 4.61382 8.43599 10.0547 11.1685 5.37421 8.91389 6.73313 12.0055 numMergedOcc 0
5 mol 182 unq 1 iso 0 dist 7.23874 6.31492 8.09718 8.43599 3.51217 11.1685 5.37421 10.2707 6.73313 12.0055 numMergedOcc 0
6 mol 182 unq 2 iso 0 dist 6.06892 7.8621 11.8631 7.01577 7.7167 6.1548 13.0784 18.0769 6.73313 12.8588 numMergedOcc 0
7 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 8.5458 9.83826 9.81852 10.2333 12.3097 7.18041 16.6322 numMergedOcc 0
8 mol 218 unq 1 iso 0 dist 6.43416 5.52981 6.75711 8.5458 9.83826 9.81852 6.48676 12.1616 7.17547 10.71 numMergedOcc 0
9 mol 218 unq 2 iso 0 dist 6.43416 6.22077 9.70376 8.5458 9.83826 3.61669 6.21463 12.4141 9.50586 12.8579 numMergedOcc 0
10 mol 218 unq 3 iso 0 dist 6.43416 6.22077 9.70376 8.5458 9.83826 3.61669 6.48676 12.1616 7.13323 10.71 numMergedOcc 0
11 mol 249 unq 0 iso 0 dist 8.84212 6.93507 5.0425 6.32658 4.76162 5.57138 5.63238 10.7504 8.96876 10.5843 numMergedOcc 0
12 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.32658 4.76162 10.3504 5.63238 10.7504 8.83735 10.5843 numMergedOcc 0
13 mol 249 unq 2 iso 0 dist 7.10933 6.93507 6.45919 6.32658 3.89698 5.57138 5.63238 12.1665 8.96876 10.5843 numMergedOcc 0
14 mol 249 unq 3 iso 0 dist 7.10933 6.42827 8.71871 6.32658 3.89698 10.3504 5.63238 12.1665 8.83735 10.5843 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 9.19805 3.8221 5.94366 6.67645 7.74463 6.34034 9.47153 numMergedOcc 0
16 mol 265 unq 1 iso 0 dist 5.90175 4.96568 4.75685 7.71301 3.5393 7.71667 6.67645 7.74463 6.34034 8.03604 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 9.67343 14.9743 7.04472 11.4664 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 6.32031 11.6096 6.4778 10.2749 numMergedOcc 0
19 mol 287 unq 2 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 9.67343 14.9743 7.04472 10.6934 numMergedOcc 0
20 mol 287 unq 3 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 6.32031 11.6096 6.4778 13.4426 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 9.67343 14.9743 7.04472 11.4664 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 6.32031 11.6096 6.4778 10.2749 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 9.67343 14.9743 7.04472 10.6934 numMergedOcc 0
24 mol 288 unq 3 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 6.32031 11.6096 6.4778 13.4426 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 9.67343 14.9743 7.04472 11.4664 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 6.32031 11.6096 6.4778 10.2749 numMergedOcc 0
27 mol 289 unq 2 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 9.67343 14.9743 7.04472 10.6934 numMergedOcc 0
28 mol 289 unq 3 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 6.32031 11.6096 6.4778 13.4426 numMergedOcc 0
